#[cfg(feature = "extern")]
pub mod ex;
#[cfg(feature = "python")]
pub mod py;
mod test;
use std::f64::consts::PI;
use crate::physics::
{
PLANCK_CONSTANT,
BOLTZMANN_CONSTANT
};
pub struct Ideal
{
pub hinge_mass: f64,
pub link_length: f64,
pub number_of_links: u8
}
pub fn end_to_end_length(number_of_links: &u8, link_length: &f64, force: &f64, temperature: &f64) -> f64
{
(*number_of_links as f64)*force/BOLTZMANN_CONSTANT/temperature*link_length.powi(2)/3.0
}
pub fn end_to_end_length_per_link(link_length: &f64, force: &f64, temperature: &f64) -> f64
{
force/BOLTZMANN_CONSTANT/temperature*link_length.powi(2)/3.0
}
pub fn nondimensional_end_to_end_length(number_of_links: &u8, nondimensional_force: &f64) -> f64
{
(*number_of_links as f64)*nondimensional_force/3.0
}
pub fn nondimensional_end_to_end_length_per_link(nondimensional_force: &f64) -> f64
{
nondimensional_force/3.0
}
pub fn gibbs_free_energy(number_of_links: &u8, link_length: &f64, hinge_mass: &f64, force: &f64, temperature: &f64) -> f64
{
-(*number_of_links as f64)*((force*link_length).powi(2)/6.0/BOLTZMANN_CONSTANT/temperature + BOLTZMANN_CONSTANT*temperature*(8.0*PI.powi(2)*hinge_mass*link_length.powi(2)*BOLTZMANN_CONSTANT*temperature/PLANCK_CONSTANT.powi(2)).ln())
}
pub fn gibbs_free_energy_per_link(link_length: &f64, hinge_mass: &f64, force: &f64, temperature: &f64) -> f64
{
-(force*link_length).powi(2)/6.0/BOLTZMANN_CONSTANT/temperature - BOLTZMANN_CONSTANT*temperature*(8.0*PI.powi(2)*hinge_mass*link_length.powi(2)*BOLTZMANN_CONSTANT*temperature/PLANCK_CONSTANT.powi(2)).ln()
}
pub fn relative_gibbs_free_energy(number_of_links: &u8, link_length: &f64, force: &f64, temperature: &f64) -> f64
{
-(*number_of_links as f64)*(force*link_length).powi(2)/6.0/BOLTZMANN_CONSTANT/temperature
}
pub fn relative_gibbs_free_energy_per_link(link_length: &f64, force: &f64, temperature: &f64) -> f64
{
-(force*link_length).powi(2)/6.0/BOLTZMANN_CONSTANT/temperature
}
pub fn nondimensional_gibbs_free_energy(number_of_links: &u8, link_length: &f64, hinge_mass: &f64, nondimensional_force: &f64, temperature: &f64) -> f64
{
-(*number_of_links as f64)*(nondimensional_force.powi(2)/6.0 + (8.0*PI.powi(2)*hinge_mass*link_length.powi(2)*BOLTZMANN_CONSTANT*temperature/PLANCK_CONSTANT.powi(2)).ln())
}
pub fn nondimensional_gibbs_free_energy_per_link(link_length: &f64, hinge_mass: &f64, nondimensional_force: &f64, temperature: &f64) -> f64
{
-nondimensional_force.powi(2)/6.0 - (8.0*PI.powi(2)*hinge_mass*link_length.powi(2)*BOLTZMANN_CONSTANT*temperature/PLANCK_CONSTANT.powi(2)).ln()
}
pub fn nondimensional_relative_gibbs_free_energy(number_of_links: &u8, nondimensional_force: &f64) -> f64
{
-(*number_of_links as f64)*nondimensional_force.powi(2)/6.0
}
pub fn nondimensional_relative_gibbs_free_energy_per_link(nondimensional_force: &f64) -> f64
{
-nondimensional_force.powi(2)/6.0
}
impl Ideal
{
pub fn init(number_of_links: u8, link_length: f64, hinge_mass: f64) -> Self
{
Ideal
{
hinge_mass,
link_length,
number_of_links
}
}
pub fn end_to_end_length(&self, force: &f64, temperature: &f64) -> f64
{
end_to_end_length(&self.number_of_links, &self.link_length, force, temperature)
}
pub fn end_to_end_length_per_link(&self, force: &f64, temperature: &f64) -> f64
{
end_to_end_length_per_link(&self.link_length, force, temperature)
}
pub fn nondimensional_end_to_end_length(&self, nondimensional_force: &f64) -> f64
{
nondimensional_end_to_end_length(&self.number_of_links, nondimensional_force)
}
pub fn nondimensional_end_to_end_length_per_link(&self, nondimensional_force: &f64) -> f64
{
nondimensional_end_to_end_length_per_link(nondimensional_force)
}
pub fn gibbs_free_energy(&self, force: &f64, temperature: &f64) -> f64
{
gibbs_free_energy(&self.number_of_links, &self.link_length, &self.hinge_mass, force, temperature)
}
pub fn gibbs_free_energy_per_link(&self, force: &f64, temperature: &f64) -> f64
{
gibbs_free_energy_per_link(&self.link_length, &self.hinge_mass, force, temperature)
}
pub fn relative_gibbs_free_energy(&self, force: &f64, temperature: &f64) -> f64
{
relative_gibbs_free_energy(&self.number_of_links, &self.link_length, force, temperature)
}
pub fn relative_gibbs_free_energy_per_link(&self, force: &f64, temperature: &f64) -> f64
{
relative_gibbs_free_energy_per_link(&self.link_length, force, temperature)
}
pub fn nondimensional_gibbs_free_energy(&self, nondimensional_force: &f64, temperature: &f64) -> f64
{
nondimensional_gibbs_free_energy(&self.number_of_links, &self.link_length, &self.hinge_mass, nondimensional_force, temperature)
}
pub fn nondimensional_gibbs_free_energy_per_link(&self, nondimensional_force: &f64, temperature: &f64) -> f64
{
nondimensional_gibbs_free_energy_per_link(&self.link_length, &self.hinge_mass, nondimensional_force, temperature)
}
pub fn nondimensional_relative_gibbs_free_energy(&self, nondimensional_force: &f64) -> f64
{
nondimensional_relative_gibbs_free_energy(&self.number_of_links, nondimensional_force)
}
pub fn nondimensional_relative_gibbs_free_energy_per_link(&self, nondimensional_force: &f64) -> f64
{
nondimensional_relative_gibbs_free_energy_per_link(nondimensional_force)
}
}